Geometry & MOs

Info

ID:	296459
PubChem CID:	117575920
Reduced:	SN5C11H21 (1)
Stoich.:	AB5C11D21 (1)
Weight, g/mol:	250.088832
ΔH_f, kcal/mol:	26.31
Dipole, Da:	2.88
IP(EA), eV:	-8.93(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[6-(furan-2-ylmethylamino)pyrimidin-4-yl]amino]ethanethiol

Drug info:

PubChemData

Smile

CN(C)CCCNC1=CC(=NC=N1)NCCS

DOS

IR

Vibrations